[1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-oxo-1,2-bis(p-tolyl)ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [1,2-bis(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [1,2-bis(4-methylphenyl)-2-oxoethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-keto-1,2-bis(p-tolyl)ethyl] ester Formula: C27H29BrO3 MolecularWeight: 481.42136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C27H29BrO3/c1-17-3-7-21(8-4-17)23(29)24(22-9-5-18(2)6-10-22)31-25(30)26-12-19-11-20(13-26)15-27(28,14-19)16-26/h3-10,19-20,24H,11-16H2,1-2H3